| Properties | Image |
|---|
| MNX_ID | MNXM353480 |
 |
| reference | slm:000463246 |
| formula | C46H87O16P2 |
| global charge | -3 |
| mol weight | 958.134 |
| InChIKey | QRUGEDGBCBPRAK-QSAMLIGZSA-K |
| InChI | InChI=1S/C46H90O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-30-33-39(47)58-35-38(60-40(48)34-31-28-25-22-19-16-17-20-23-26-29-32-37(2)3)36-59-64(56,57)62-46-43(51)41(49)45(42(50)44(46)52)61-63(53,54)55/h37-38,41-46,49-52H,4-36H2,1-3H3,(H,56,57)(H2,53,54,55)/p-3/t38-,41-,42+,43-,44-,45+,46+/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C46H90O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-30-33-39(47)58-35-38(60-40(48)34-31-28-25-22-19-16-17-20-23-26-29-32-37(2)3)36-59-64(56,57)62-46-43(51)41(49)45(42(50)44(46)52)61-63(53,54)55/h37-38,41-46,49-52H,4-36H2,1-3H3,(H,56,57)(H2,53,54,55)/t38-,41-,42+,43-,44-,45+,46+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:18][CH2:21][CH2:24][CH2:27][CH2:30][CH2:33][C:39](=[O:47])[O:58][CH2:35][C@H:38]([CH2:36][O:59][P:64]([OH:56])(=[O:57])[O:62][C@H:46]1[C@H:43]([OH:51])[C@@H:41]([OH:49])[C@H:45]([O:61][P:63]([OH:53])([OH:54])=[O:55])[C@@H:42]([OH:50])[C@H:44]1[OH:52])[O:60][C:40]([CH2:34][CH2:31][CH2:28][CH2:25][CH2:22][CH2:19][CH2:16][CH2:17][CH2:20][CH2:23][CH2:26][CH2:29][CH2:32][CH:37]([CH3:2])[CH3:3])=[O:48] |
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